3-Chloro-5-methoxybenzeneboronic acid

C₇H₈BClO₃CAS 915201-07-9186.40 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ether

Properties

Molecular formula: C₇H₈BClO₃
Molar mass: 186.40 g/mol
Exact mass: 186.0255 Da
logP: 0.03Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

915201-07-9

SMILES

COc1cc(Cl)cc(B(O)O)c1

InChIKey

WAVZSRUGKKOQRB-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BClO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,10-11H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

B-(3-Chloro-5-methoxyphenyl)boronic acid
Boronic acid, B-(3-chloro-5-methoxyphenyl)-
Boronic acid, (3-chloro-5-methoxyphenyl)-
3-Chloro-5-methoxyphenylboronic acid

Work with 3-Chloro-5-methoxybenzeneboronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Dimethoxyphenylboronic acid192182-54-071 % similar 1,3-Dichloro-5-methoxybenzene33719-74-361 % similar 3,5-Dichlorophenylboronic acid67492-50-661 % similar 1-Chloro-3,5-dimethoxybenzene7051-16-361 % similar 3-Fluoro-5-methoxyphenylboronic acid609807-25-259 % similar (3-Methoxyphenyl)boronic acid10365-98-758 % similar 3-Chloro-5-methoxyphenol65262-96-655 % similar 5-Methoxypyridine-3-boronic acid850991-69-451 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Chloro-4-methoxybenzeneboronic acid175883-60-0 2-Chloro-4-methoxyphenylboronic acid219735-99-6 2-Chloro-6-methoxyphenylboronic acid385370-80-9 4-Chloro-2-methoxyphenylboronic acid762287-57-0 (2-Chloro-5-methoxyphenyl)boronic acid89694-46-2 (4-Chloro-3-methoxyphenyl)boronic acid89694-47-3 5-Chloro-2-methoxyphenylboronic acid89694-48-4

Elsewhere

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